Geometry & MOs

Info

ID:	278811
PubChem CID:	103838529
Reduced:	ClINOC12H13 (1)
Stoich.:	ABCDE12F13 (1)
Weight, g/mol:	247.204848
ΔH_f, kcal/mol:	-12.71
Dipole, Da:	4.41
IP(EA), eV:	-8.94(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-tert-butylpyrazol-4-yl)-N-[(1-cyclopropylcyclopropyl)methyl]methanamine

Drug info:

PubChemData

Smile

CC1(CC1C(=O)NC2=C(C=C(C=C2)Cl)I)C

DOS

IR

Vibrations